Geometry & MOs

Info

ID:	157784
PubChem CID:	56437185
Reduced:	FN4O6C23H23 (1)
Stoich.:	AB4C6D23E23 (1)
Weight, g/mol:	436.208611
ΔH_f, kcal/mol:	-202.08
Dipole, Da:	3.69
IP(EA), eV:	-8.93(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[[1-[3-[4-(trifluoromethyl)phenyl]butanoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)NC(C#N)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=C(C=C3)F

DOS

IR

Vibrations